4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C19H17F3N2O — CID 174415280

IUPAC4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2C)cc1
InChIInChI=1S/C19H17F3N2O/c1-13-15(11-14-3-9-18(25-2)10-4-14)12-24(23-13)17-7-5-16(6-8-17)19(20,21)22/h3-10,12H,11H2,1-2H3
InChIKeyFGHNZLDHFVMEAV-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.80
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 174415280) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID174415280
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2C)cc1
InChIInChI=1S/C19H17F3N2O/c1-13-15(11-14-3-9-18(25-2)10-4-14)12-24(23-13)17-7-5-16(6-8-17)19(20,21)22/h3-10,12H,11H2,1-2H3
InChIKeyFGHNZLDHFVMEAV-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 174415280) is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is COc1ccc(Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is FGHNZLDHFVMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-13-15(11-14-3-9-18(25-2)10-4-14)12-24(23-13)17-7-5-16(6-8-17)19(20,21)22/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 346.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 174415280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).